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3,5-Dichloro-alpha-methylstyrene , CAS No.68575-36-0
주문 가능
Storage
Room temperature
Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
보관 조건
Room temperature
이름과 식별자
| 정식 스마일 | CC(=C)C1=CC(=CC(=C1)Cl)Cl |
|---|---|
| IUPAC Name | 1,3-dichloro-5-prop-1-en-2-ylbenzene |
| InChIKey | CSXMJJOTTRDXHY-UHFFFAOYSA-N |
| INCHI | 1S/C9H8Cl2/c1-6(2)7-3-8(10)5-9(11)4-7/h3-5H,1H2,2H3 |
| 이성체 SMILES | CC(=C)C1=CC(=CC(=C1)Cl)Cl |
| PubChem CID | 110604 |
| 분자량 | 187.07 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
- 분류 Benzene and substituted derivatives
- Subclass Phenylpropenes
- 분류 Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| 분류 | Benzene and substituted derivatives |
| Subclass | Phenylpropenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropenes |
| Alternative Parents | Styrenes Dichlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropene - Styrene - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as phenylpropenes. These are compounds containing a phenylpropene moiety, which consists of a propene substituent bound to a phenyl group. |
| External Descriptors | Not available |
3D 구조
상호 작용 화학 구조 모델
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
| 분자량 | 187.060 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 186 Da |
| Monoisotopic Mass | 186 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 144.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 68575-36-0, the molecular formula is C9H8Cl2, and the molecular weight is 187.07 g/mol. InChIKey CSXMJJOTTRDXHY-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.
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